CAS RN: 317817-24-6
1H,1H-PERFLUORO-3,6,9-TRIOXATRIDECAN-1-OL
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS317817-24-6
- Purity/Analytical Methods: >99.0%
317817-24-6 / 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]ethanol
Basic Information
CAS
317817-24-6
Multi CAS
Yes
Molecular Formula
C10F19H3O4
Molecular Weight
548.100000
Exact Mass
547.972794
InChI
InChI=1S/C10H3F19O4/c11-2(12,1-30)31-7(22,23)8(24,25)33-10(28,29)9(26,27)32-6(20,21)4(15,16)3(13,14)5(17,18)19/h30H,1H2
InChIKey
WDIFKQOHZPTQIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.97
TPSA
47.92
LogP / Solubility
WLOGP
5.42
MLOGP
4.81
XLogP3
6.2
Consensus LogP
5.48
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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